N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide

C14H12ClN3O2 — CID 78981565

IUPACN-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)cc3cccnc23)CN1
InChIInChI=1S/C14H12ClN3O2/c15-10-4-8-2-1-3-16-13(8)11(6-10)18-14(20)9-5-12(19)17-7-9/h1-4,6,9H,5,7H2,(H,17,19)(H,18,20)
InChIKeyNLFZAXUQFSLWOH-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.96
Rot. Bonds2

About N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide

N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981565) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78981565
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)cc3cccnc23)CN1
InChIInChI=1S/C14H12ClN3O2/c15-10-4-8-2-1-3-16-13(8)11(6-10)18-14(20)9-5-12(19)17-7-9/h1-4,6,9H,5,7H2,(H,17,19)(H,18,20)
InChIKeyNLFZAXUQFSLWOH-UHFFFAOYSA-N
XLogP1.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloroquinolin-8-yl)piperidine-2-carboxamide
CID 43698576
N-(6-chloroquinolin-8-yl)-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 37419359
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982635
N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 78982003
N-(6-chloroquinolin-8-yl)-2-(cyclopropylamino)acetamide
CID 60842689
N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 79286732
2-chloro-N-(6-chloroquinolin-8-yl)propanamide
CID 43696479
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide
CID 83192640
N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193218
3-amino-N-(6-chloroquinolin-8-yl)pyridine-2-carboxamide
CID 104741160

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide (CID 78981565) is N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2cc(Cl)cc3cccnc23)CN1.
What is the InChIKey of N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NLFZAXUQFSLWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-10-4-8-2-1-3-16-13(8)11(6-10)18-14(20)9-5-12(19)17-7-9/h1-4,6,9H,5,7H2,(H,17,19)(H,18,20).
What are the key properties of N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide?
N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).